4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

C15H22N4O — CID 28785551

IUPAC4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CN1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C15H22N4O/c1-12-15(13(2)20-17-12)10-18-6-3-14(4-7-18)9-19-8-5-16-11-19/h5,8,11,14H,3-4,6-7,9-10H2,1-2H3
InChIKeyQKKWEPGPYKWJCM-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.40
Rot. Bonds4

About 4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 28785551) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID28785551
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CN1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C15H22N4O/c1-12-15(13(2)20-17-12)10-18-6-3-14(4-7-18)9-19-8-5-16-11-19/h5,8,11,14H,3-4,6-7,9-10H2,1-2H3
InChIKeyQKKWEPGPYKWJCM-UHFFFAOYSA-N
XLogP2.40
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 28785551) is 4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1CN1CCC(Cn2ccnc2)CC1.
What is the InChIKey of 4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is QKKWEPGPYKWJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-12-15(13(2)20-17-12)10-18-6-3-14(4-7-18)9-19-8-5-16-11-19/h5,8,11,14H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 274.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 28785551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).